Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 227

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C34 C C34 N N N 0 -3.752 -4.559 7.529
2 C32 C C32 N N N 0 -3.757 -2.973 5.714
3 C4 C C4 N Y N 0 -7.065 -6.378 1.59
4 C7 C C7 N Y N 0 -8.666 -7.233 3.692
5 C9 C C9 N Y N 0 -6.938 -7.68 2.065
6 C13 C C13 N Y N 0 -7.74 -8.107 3.117
7 C20 C C20 N Y N 0 -6.263 -1.121 0.766
8 C21 C C21 N N N 0 -8.464 -10.37 2.997
9 N5 N N5 S N N 0 -7.375 -3.689 0.661
10 C18 C C18 N N N 0 -4.719 -8.534 2.052
11 C16 C C16 N N N 0 -7.686 -1.303 0.288
12 O17 O O17 N N N 0 -7.633 -9.378 3.598
13 C19 C C19 N Y N 0 -4.128 -2.029 1.489
14 O26 O O26 N N N 0 -3.426 -4.465 0.93
15 S22 S S22 N N N 0 -3.008 -3.356 1.762
16 O27 O O27 N N N 0 -1.663 -2.828 1.68
17 N25 N N25 N N N 0 -3.366 -3.718 3.397
18 C30 C C30 N N N 0 -3.145 -2.605 4.363
19 N33 N N33 N N N 0 -3.188 -4.23 6.221
20 C31 C C31 N N N 0 -3.422 -5.323 5.267
21 C29 C C29 N N N 0 -2.804 -5.001 3.907
22 C23 C C23 N Y N 0 -3.658 -0.738 1.728
23 C28 C C28 N Y N 0 -4.484 0.36 1.495
24 C15 C C15 N Y N 0 -5.433 -2.233 1.022
25 C10 C C10 N N N 0 -5.911 -3.638 0.731
26 C24 C C24 N Y N 0 -5.781 0.17 1.019
27 C11 C C11 N N N 0 -7.951 -2.708 -0.265
28 C2 C C2 N Y N 0 -8.15 -4.176 1.712
29 C1 C C1 N Y N 0 -7.999 -5.505 2.174
30 N6 N N6 N Y N 0 -9.062 -3.338 2.29
31 C12 C C12 N Y N 0 -9.786 -3.849 3.299
32 N8 N N8 N Y N 0 -9.71 -5.098 3.803
33 C3 C C3 N Y N 0 -8.814 -5.925 3.237
34 O14 O O14 N N N 0 -6.032 -8.521 1.495
35 H341 H 1H34 N N N 0 -4.84 -4.462 7.504
36 H342 H 2H34 N N N 0 -3.355 -3.884 8.292
37 H343 H 3H34 N N N 0 -3.496 -5.586 7.803
38 H321 H 1H32 N N N 0 -3.549 -2.163 6.423
39 H322 H 2H32 N N N 0 -4.848 -3.056 5.618
40 H4 H H4 N N N 0 -6.43 -6.061 0.766
41 H7 H H7 N N N 0 -9.286 -7.586 4.515
42 H211 H 1H21 N N N 0 -8.728 -10.059 1.983
43 H212 H 2H21 N N N 0 -9.368 -10.501 3.597
44 H213 H 3H21 N N N 0 -7.916 -11.314 2.955
45 H181 H 1H18 N N N 0 -4.469 -7.537 2.423
46 H182 H 2H18 N N N 0 -4.0 -8.84 1.287
47 H183 H 3H18 N N N 0 -4.691 -9.246 2.881
48 H161 H 1H16 N N N 0 -8.353 -1.114 1.139
49 H162 H 2H16 N N N 0 -7.919 -0.566 -0.489
50 H301 H 1H30 N N N 0 -3.63 -1.697 3.986
51 H302 H 2H30 N N N 0 -2.071 -2.409 4.462
52 H311 H 1H31 N N N 0 -4.499 -5.508 5.152
53 H312 H 2H31 N N N 0 -2.968 -6.247 5.646
54 H291 H 1H29 N N N 0 -1.713 -4.923 3.984
55 H292 H 2H29 N N N 0 -3.045 -5.806 3.204
56 H23 H H23 N N N 0 -2.647 -0.592 2.096
57 H28 H H28 N N N 0 -4.117 1.365 1.686
58 H101 H 1H10 N N N 0 -5.492 -3.961 -0.229
59 H102 H 2H10 N N N 0 -5.545 -4.327 1.502
60 H24 H H24 N N N 0 -6.416 1.036 0.847
61 H111 H 1H11 N N N 0 -9.026 -2.873 -0.408
62 H112 H 2H11 N N N 0 -7.477 -2.818 -1.248
63 H12 H H12 N N N 0 -10.51 -3.189 3.759